1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine

C14H31N3 — CID 82923377

IUPAC1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CC1CN(C)CCN1C
InChIInChI=1S/C14H31N3/c1-5-12(6-2)9-13(15)10-14-11-16(3)7-8-17(14)4/h12-14H,5-11,15H2,1-4H3
InChIKeyPMIZTTGGBZKLPQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine (PubChem CID 82923377) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
PubChem CID82923377
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CC1CN(C)CCN1C
InChIInChI=1S/C14H31N3/c1-5-12(6-2)9-13(15)10-14-11-16(3)7-8-17(14)4/h12-14H,5-11,15H2,1-4H3
InChIKeyPMIZTTGGBZKLPQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
CID 115415067
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(3,5-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415017
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415031

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine (CID 82923377) is 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine is CCC(CC)CC(N)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine?
The InChIKey is PMIZTTGGBZKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-12(6-2)9-13(15)10-14-11-16(3)7-8-17(14)4/h12-14H,5-11,15H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine is sourced from PubChem (CID 82923377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).